N-(4-methoxybenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(4-methoxybenzene-1-sulfonyl)-beta-alanine
N-(4-methoxybenzene-1-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | Y040-6898 |
| Compound Name: | N-(4-methoxybenzene-1-sulfonyl)-beta-alanine |
| Molecular Weight: | 259.28 |
| Molecular Formula: | C10 H13 N O5 S |
| Smiles: | COc1ccc(cc1)S(NCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5699 |
| logD: | -2.289 |
| logSw: | -2.0648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.037 |
| InChI Key: | KBHUTIQWIYFYFA-UHFFFAOYSA-N |